Nuclear quantum effects in the acetylene:ammonia plastic co-crystal.

Organic molecular solids can exhibit rich phase diagrams. In addition to structurally unique phases, translational and rotational degrees of freedom can melt at different state points, giving rise to partially disordered solid phases. The structural and dynamic disorder in these materials can have a significant impact on the physical properties of the organic solid, necessitating a thorough understanding of disorder at the atomic scale. When these disordered phases form at low temperatures, especially in crystals with light nuclei, the prediction of material properties can be complicated by the importance of nuclear quantum effects. As an example, we investigate nuclear quantum effects on the structure and dynamics of the orientationally disordered, translationally ordered plastic phase of the acetylene:ammonia (1:1) co-crystal that is expected to exist on the surface of Saturn's moon Titan. Titan's low surface temperature (∼90 K) suggests that the quantum mechanical behavior of nuclei may be important in this and other molecular solids in these environments. By using neural network potentials combined with ring polymer molecular dynamics simulations, we show that nuclear quantum effects increase orientational disorder and rotational dynamics within the acetylene:ammonia (1:1) co-crystal by weakening hydrogen bonds. Our results suggest that nuclear quantum effects are important to accurately model molecular solids and their physical properties in low-temperature environments.

Artificial Neural Network-Aided Computational Approach for Mechanophenotyping of Biological Cells Using Atomic Force Microscopy.

The artificial neural network (ANN) based models have shown the potential to provide alternate data-driven solutions in disease diagnostics, cell sorting and overcoming AFM-related limitations. Hertzian model-based prediction of mechanical properties of biological cells, although most widely used, has shown to have limited potential in determining constitutive parameters of cells of uneven shape and nonlinear nature of force-indentation curves in AFM-based cell nano-indentation. We report a new artificial neural network-aided approach, which takes into account, the variation in cell shapes and their effect on the predictions in cell mechanophenotyping. We have developed an artificial neural network (ANN) model which could predict the mechanical properties of biological cells by utilizing the force versus indentation curve of AFM. For cells with 1 µm contact length (platelets), we obtained a recall of 0.97 ± 0.03 and 0.99 ± 0.0 for cells with hyperelastic and linear elastic constitutive properties respectively with a prediction error of less than 10%. Also, for cells with 6-8 µm contact length (red blood cells), we obtained the recall of 0.975 in predicting mechanical properties with less than 15% error. We envisage that the developed technique can be used for better estimation of cells' constitutive parameters by incorporating cell topography into account.

Doping Independent Work Function and Stable Band Gap of Spinel Ferrites with Tunable Plasmonic and Magnetic Properties.

Tuning optical or magnetic properties of nanoparticles, by addition of impurities, for specific applications is usually achieved at the cost of band gap and work function reduction. Additionally, conventional strategies to develop nanoparticles with a large band gap also encounter problems of phase separation and poor crystallinity at high alloying degree. Addressing the aforementioned trade-offs, here we report Ni-Zn nanoferrites with energy band gap (Eg) of ≈3.20 eV and a work function of ≈5.88 eV. While changes in the magnetoplasmonic properties of the Ni-Zn ferrite were successfully achieved with the incorporation of bismuth ions at different concentrations, there was no alteration of the band gap and work function in the developed Ni-Zn ferrite. This suggests that with the addition of minute impurities to ferrites, independent of their changes in the band gap and work function, one can tune their magnetic and optical properties, which is desired in a wide range of applications such as nanobiosensing, nanoparticle based catalysis, and renewable energy generation using nanotechnology.

Graphene Oxide Nanoparticles Modified Paper Electrode as a Biosensing Platform for Detection of the htrA Gene of O. tsutsugamushi.

The unique structural and electrochemical properties of graphene oxide (GO) make it an ideal material for the fabrication of biosensing devices. Therefore, in the present study, graphene oxide nanoparticles modified paper electrodes were used as a low-cost matrix for the development of an amperometric DNA sensor. The graphene oxide was synthesized using the modified hummers method and drop cast on a screen-printed paper electrode (SPPE) to enhance its electrochemical properties. Further, the GO/SPPE electrode was modified with a 5'NH2 labeled ssDNA probe specific to the htrA gene of Orientia tsutsugamushi using carbodiimide cross-linking chemistry. The synthesized GO was characterized using UV-Vis, FTIR, and XRD. The layer-by-layer modification of the paper electrode was monitored via FE-SEM, cyclic voltammetry, and electrochemical impedance spectroscopy (EIS). The sensor response after hybridization with single-stranded genomic DNA (ssGDNA) of O. tsutsugamushi was recorded using differential pulse voltammetry (DPV). Methylene blue (1 mM in PBS buffer, pH 7.2) was used as a hybridization indicator and [Fe(CN)6]-3/-4 (2.5 mM in PBS buffer, pH 7.2) as a redox probe during electrochemical measurements. The developed DNA sensor shows excellent sensitivity (1228.4 µA/cm2/ng) and LOD (20 pg/µL) for detection of O. tsutsugamushi GDNA using differential pulse voltammetry (DPV).

Nanoferrites heterogeneous catalysts for biodiesel production from soybean and canola oil: a review.

Fossil fuel depletion and pollution are calling for alternative, renewable energies such as biofuels. Actual challenges include the design of efficient processes and catalysts to convert various feedstocks into biofuels. Here, we review nanoferrites heterogeneous catalysts to produce biodiesel from soybean and canola oil. For that, transesterification is the main synthesis route and offers simplicity, cost-effectiveness, better process control, and high conversion yield. Catalysis with nanoferrites and composites allow to obtain yields higher than 95% conversion with less than 5.0 wt.% of catalyst loading at 80 °C in 1-2 h. More than 90% conversion yields can be achieved with a moderate alcohol/oil molar ratio, i.e., between 12:1 to 16:1. Catalyst recovery is easy due to the magnetic properties of nanoferrite, which can be effectively reused up to 4 times with less than 10% loss of catalytic efficiency.

A review on MnZn ferrites: Synthesis, characterization and applications.

Researchers are taking great interest in the synthesis and characterization of MnZn ferrites due to their wide range of applications in many areas. MnZn ferrites are a class of soft magnetic materials that have very good electrical, magnetic and optical properties. The properties of MnZn ferrites include high value of resistivity, permeability, permittivity, saturation magnetization, low power losses and coercivity. The above mentioned advantageous features of MnZn ferrites make them suitable for the use in various applications. In biomedical field these ferrites are used for cancer treatment and MRI. MnZn ferrites are also used in electronic applications for making transformers, transducers and inductors. These ferrites are also used in magnetic fluids, sensors and biosensors. MnZn ferrite is highly useful material for several electrical and electronic applications. It finds applications in almost every household appliances like mobile charger, LED bulb, TV, refrigerator, juicer mixer, washing machine, iron, microwave oven, mobile, laptop, desktop, printer and so on. Therefore, the present review focuses on different techniques for synthesis of MnZn ferrites in literature, their characterization tools, effect of doping on the properties of MnZn ferrite and finally we will discuss about their applications.

Spline Based Shape Prediction and Analysis of Uniformly Rotating Sessile and Pendant Droplets.

Prediction and analysis of the shapes of liquid-vapor interface of droplets under the influence of external forces is critical for various applications. In this regard, a geometric model that can capture the macroscopic shape of the liquid-vapor interface in tandem with the subtleties near the contact line, particularly in the regime where the droplet shape deviates significantly from the idealized spherical cap geometry, is desirable. Such deviations may occur when external forces such as gravity or centrifugal dominate over the surface tension force. Here we use vector parametrized cubic spline representation for axisymmetric fluid-fluid interfaces along with a novel thermodynamic free energy minimization based heuristic to determine the shape of liquid-vapor interface of droplets. We show that the current scheme can easily predict the shapes of sessile and pendant droplets under the action of centrifugal force over a broad range of surface contact angle values and droplet sizes encountered in practical applications. Finally, we show that the cubic spline based modeling approach makes it convenient to perform the inverse analysis as well, i.e., predict interfacial properties from the shape of a droplet under the action of various types of external forces including gravity and centrifugal. We believe that this versatile modeling approach can be extended to model droplet shapes under various other external forces including electric and acoustic. In addition, the simple shape analysis approach is also promising for the development of inexpensive interfacial analysis tools such as surface tensiometers.

Efficient rhodamine B dye photocatalytic degradation in aqueous media using novel ZnO nanomaterials co-doped with Ce and Dy.

Water pollution caused by dyes and industrial wastewater poses a significant threat to ecosystems. The purification of such pollutants presents a major challenge. Photocatalysis based on semiconductor materials is a potential wastewater treatment process due to its safety and cost-effectiveness. In the present work, Zn1-2xCexDyxO (x = 0.01-0.05) semiconductors were prepared by the sol-gel auto-ignition method. The samples are denoted CDZO1, CDZO3, and CDZO5 for x  = 0.01-0.05, respectively. The X-ray diffraction and Raman spectroscopy results revealed the formation of ZnO hexagonal phase wurtzite structure for all synthesized compositions. Different structural properties were determined. It was found that the lattice parameters and the unit cell volume increased, while the crystallite size diminished as x varied from 0.01 to 0.05. Transmission electron microscopy observations confirmed the formation of nanoparticles with the desired chemical compositions. The specific surface area (SSA) values are found to be 39.95 m2/g, 48.62 m2/g, and 51.36 m2/g for CDZO1, CDZO5, and CDZO5 samples, respectively. The reflectance spectra were recorded to examine the optical properties of the different nanoparticles. The values of the optical band gap were 3.221, 3.225, and 3.239 eV for CDZO1, CDZO3, and CDZO5 samples, respectively. In addition, the photocatalytic performance towards RhB dye degradation for the different samples was assessed. It was established that the CDZO3 sample with a moderate SSA value exhibited the superior photocatalytic performance among the other as-prepared samples wherein the percentage of degradation efficiency, and kinetic constant rate attained their maximum values of 98.22 % and 0.0521 min-1, respectively within 75 min. As per the obtained findings, it is evident that the Zn1-2xCexDyxO photocatalyst has prominent potential for use in the degradation of dyes and offers a useful route for impeding the recombination of electron-hole pairs of zinc oxide material.

Dataset for boiling acoustic emissions: A tool for data driven boiling regime prediction.

Boiling is used for the thermal management of high-energy-density devices and systems. However, sudden thermal runaway at boiling crisis often results in catastrophic failures. Machine learning is a promising tool for in-situ monitoring of boiling-based systems for preemptive control of boiling crisis. A carefully acquired and well-labeled dataset is a primary requirement for utilizing any data-driven learning framework to extract valuable descriptors. Here, we present a comprehensive dataset of boiling acoustics presented in our recent work [1]. We collect the audio files through meticulously controlled near-saturated pool boiling experiments under steady-state conditions. To this end, we connect a high-sensitivity hydrophone to a pre-amplifier and a data acquisition unit for accurate and reliable acquisition of acoustic signals. We organize the audio files into four categories as per the respective boiling regimes: background or natural convection (BKG, 2-5W/cm2), nucleate boiling (NB, 8-140W/cm2), excluding those at higher heat flux values preceding the onset of boiling crisis or the critical heat flux (Pre-CHF, ≈145W/cm2), and transition boiling (TB, uncontrolled). Each audio file label provides explicit information about the heat flux value and the experimental conditions. This dataset, consisting of 2056 files for BKG, 13367 files for NB, 399 files for Pre-CHF, and 460 files for TB, serves as the foundation for training and evaluating a deep learning strategy to predict boiling regimes. The dataset also includes acoustic emission data from transient pool boiling experiments conducted with varying heating strategies, heater surface, and boiling fluid modifications, creating a valuable dataset for developing robust data-driven models to predict boiling regimes. We also provide the associated MATLAB® codes used to process and classify these audio files.

Endorsing a Hidden Plasmonic Mode for Enhancement of LSPR Sensing Performance in Evolved Metal-insulator Geometry Using an Unsupervised Machine Learning Algorithm.

Large-area nanoplasmonic structures with pillared metal-insulator geometry, also called nanomushrooms (NM), consist of an active spherical-shaped plasmonic material such as gold as its cap and silicon dioxide as its stem. NM is a geometry which evolves from its precursor, nanoislands (NI) consisting of aforementioned spherical structures on flat silicon dioxide substrates, via selective physical or chemical etching of the silicon dioxide. The NM geometry is well-known to provide enhanced localized surface plasmon resonance (LSPR) sensitivity in biosensing applications as compared to NI. However, precise optical phenomenon behind this enhancement is unknown and often associated with the existence of electric fields in the large fraction of the spatial region between the pillars of NM, usually accessible by the biomolecules. Here, we uncover the association of LSPR enhancement in such geometries with a hidden plasmonic mode by conducting magneto-optics measurements and by deconvoluting the absorbance spectra obtained during the local refractive index change of the NM and NI geometries. By the virtue of principal component analysis, an unsupervised machine learning technique, we observe an explicit relationship between the deconvoluted modes of LSPR, the differential absorption of left and right circular polarized light, and the refractive index sensitivity of the LSPR sensor. Our findings may lead to the development of new approaches to extract unknown properties of plasmonic materials or establish new fundamental relationships between less understood photonic properties of nanomaterials.

A systematic review of methodologies and techniques for integrating ergonomics into development and assessment of manually operated equipment.

Objective. Humans have limited power and require mechanization, to meet high energy demand, through equipment. We initiated this study to accumulate data from previous research to identify critical issues and approaches in implementing ergonomic principles into the design, intervention, development and assessment of manually operated equipment. Method. The literature search was carried out in scientific databases: Scopus and PubMed. Fifty-three research articles, meeting the inclusion criteria, were selected for this review. Results. The study indicated a propensity of countries with lower-middle-income and high-income groups, and of the agricultural and manufacturing sector toward research and development of manually operated equipment. A thorough study of the equipment design process revealed that health and safety was the prime motivator in the pre-design phase, an experimental prototype approach was most utilized in the design phase and a direct measurement technique was most frequently used in the post-design phase. Conclusion. The study highlights the scarcity of research in the integration of ergonomics into the design of manually operated equipment among countries with the low-income group. This study also promotes the use of virtual design and assessment techniques for cost-effectiveness.

Diagnosis of scrub typhus: recent advancements and challenges.

Scrub typhus is a mite-borne, acute febrile illness caused by the bacterium Orientia tsutsugamushi. It is a re-emerging infectious disease of the tsutsugamushi triangle. Scrub typhus is transmitted through bites of contaminated chiggers (larval stage). Diagnosis of scrub typhus is challenging as its symptoms mimic with other acute febrile illnesses. Several methods are effectual for diagnosis of scrub typhus that includes enzyme-linked immunosorbent assay (ELISA), immunofluorescence assay (IFA), immunochromatographic test (ICT), Weil-Felix, polymerase chain reaction (PCR) and loop-mediated isothermal amplification (LAMP). Weil-Felix test was initially used for the diagnosis of scrub typhus in underdeveloped countries but not preferred due to a lack of both specificity and sensitivity. Other immuno-based methods like IFA and ELISA are most outrank for detection of scrub typhus due to their higher sensitivity and specificity, but not vigorous to lay bare the infection at early stages and need the convalescent sampling for verification of positive samples. On another deed, PCR based methods becoming acceptable over era due to its dexterity of early-stage diagnosis with higher specificity and sensitivity but lack its applicability in circumstances of scrub typhus due to the variegated genetic makeup of Orientia tsutsugamushi among its serotypes. The present review focused on various detection methods along with their advantages and disadvantages used in the diagnosis of scrub typhus. A comparison between available methods of diagnosis with challenges in the detection of scrub typhus is also summarized.

AuNPs/CNF-modified DNA biosensor for early and quick detection of O. tsutsugamushi in patients suffering from scrub typhus.

A novel approach has been developed for the detection of 56 kDa tissue-specific antigen (TSA) gene of Orientia tsutsugamushi a causative agent of scrub typhus disease. The approach was developed by immobilization of 5' NH2 labeled ssDNA probe selective to 56 kDa TSA gene, to the surface of AuNPs/CNF modified screen-printed electrode. An electrochemical response was recorded with single stranded genomic DNA (ssDNA) of O. tsutsugamushi isolated from patient sample, using cyclic voltammetry and electrochemical impedance spectroscopy. The electrode surface was characterized by Field-Emission Scanning electron microscope (FE-SEM), Fourier Transform Infrared Spectroscopy (FTIR) and Raman Spectroscopy at each step of fabrication. The DNA biosensor shows optimum response within 50-60 s at room temperature (25 ± 3 °C). The sensor shows higher sensitivity [7849 (µA/cm2)/ng DNA], fast response time (60 s), wider linear range (0.04-2.6 ng) with limit of detection of 0.02 ng/µl of ssDNA sample.

Purification and characterization of lectin from fruiting body of Ganoderma lucidum: lectin from Ganoderma lucidum.

A novel 114 kDa hexameric lectin was purified from the fruiting bodies of the mushroom Ganoderma lucidum. Biochemical characterization revealed it to be a glycoprotein having 9.3% neutral sugar and it showed hemagglutinating activity on pronase treated human erythrocytes. The lectin was stable in the pH range of 5-9 and temperature up to 50 degrees C. The hemagglutinating activity was inhibited by glycoproteins that possessed N-as well as O-linked glycans. Chemical modification of the G. lucidum lectin revealed contribution of tryptophan and lysine to binding activity. The thermodynamics of binding of bi- and triantennary N-glycans to G. lucidum lectin was studied by spectrofluorimetry. The lectin showed very high affinity for asialo N-linked triantennary glycan and a preference for asialo glycans over sialylated glycans. The binding was accompanied with a large negative change in enthalpy as well as entropy, indicating primarily involvement of polar hydrogen, van der Waals and hydrophobic interactions in the binding.

Multi-material classification of dry recyclables from municipal solid waste based on thermal imaging.

There has been a significant rise in municipal solid waste (MSW) generation in the last few decades due to rapid urbanization and industrialization. Due to the lack of source segregation practice, a need for automated segregation of recyclables from MSW exists in the developing countries. This paper reports a thermal imaging based system for classifying useful recyclables from simulated MSW sample. Experimental results have demonstrated the possibility to use thermal imaging technique for classification and a robotic system for sorting of recyclables in a single process step. The reported classification system yields an accuracy in the range of 85-96% and is comparable with the existing single-material recyclable classification techniques. We believe that the reported thermal imaging based system can emerge as a viable and inexpensive large-scale classification-cum-sorting technology in recycling plants for processing MSW in developing countries.

A review on automated sorting of source-separated municipal solid waste for recycling.

A crucial prerequisite for recycling forming an integral part of municipal solid waste (MSW) management is sorting of useful materials from source-separated MSW. Researchers have been exploring automated sorting techniques to improve the overall efficiency of recycling process. This paper reviews recent advances in physical processes, sensors, and actuators used as well as control and autonomy related issues in the area of automated sorting and recycling of source-separated MSW. We believe that this paper will provide a comprehensive overview of the state of the art and will help future system designers in the area. In this paper, we also present research challenges in the field of automated waste sorting and recycling.

Nanomaterial Fungicides: In Vitro and In Vivo Antimycotic Activity of Cobalt and Nickel Nanoferrites on Phytopathogenic Fungi.

Recent advances in engineering lead to the fabrication of nanomaterials with unique properties targeted toward specific applications. The use of nanotechnology in agriculture, in particular for plant protection and production, is an under-explored area in the research community. Fungal diseases are one of the leading causes of crop destruction and, in this context, the antifungal effect of nanoparticles of cobalt and nickel ferrite against phytopathogenic fungi is reported here. As a proof of concept, it is also shown how such nanoparticles can be used as fungicides in plants. The developed cobalt and nickel ferrite nanoparticles (CoFe2O4 and NiFe2O4) are successfully tested for antimycotic activity against three plant-pathogenic fungi: Fusarium oxysporum, Colletotrichum gloeosporioides, and Dematophora necatrix. In addition, it is also observed that these ferrite nanoparticles reduce the incidence of Fusarium wilt in capsicum. The study suggests that nanoparticles of CoFe2O4 and NiFe2O4 can be used as an effective fungicide in plant disease management.

Outcomes of In-Hospital Cardiopulmonary Resuscitation in Morbidly Obese Patients.

OBJECTIVES: This study sought to assess the impact of morbid obesity on outcomes in patients with in-hospital cardiac arrest (IHCA). BACKGROUND: Obesity is associated with increased risk of out-of-hospital cardiac arrest; however, little is known about survival of morbidly obese patients with IHCA. METHODS: Using the Nationwide Inpatient Sample database from 2001 to 2008, we identified adult patients undergoing resuscitation for IHCA, including those with morbid obesity (body mass index ≥40 kg/m2) by using International Classification of Diseases 9th edition codes and clinical outcomes. Outcomes including in-hospital mortality, length of stay, and discharge dispositions were identified. Logistic regression model was used to examine the independent association of morbid obesity with mortality. RESULTS: Of 1,293,071 IHCA cases, 27,469 cases (2.1%) were morbidly obese. The overall mortality was significantly higher for the morbidly obese group than for the nonobese group experiencing in-hospital non-ventricular fibrillation (non-VF) (77% vs. 73%, respectively; p = 0.006) or VF (65% vs. 58%, respectively; p = 0.01) arrest particularly if cardiac arrest happened late (>7 days) after hospitalization. Discharge to home was significantly lower in the morbidly obese group (21% vs. 31%, respectively; p = 0.04). After we adjusted for baseline variables, morbid obesity remained an independent predictor of increased mortality. Other independent predictors of mortality were age and severe sepsis for non-VF and VF group and venous thromboembolism, cirrhosis, stroke, malignancy, and rheumatologic conditions for non-VF group. CONCLUSIONS: The overall mortality of morbidly obese patients after IHCA is worse than that for nonobese patients, especially if IHCA occurs after 7 days of hospitalization and survivors are more likely to be transferred to a skilled nursing facility.

Fish-inspired robots: design, sensing, actuation, and autonomy--a review of research.

Underwater robot designs inspired by the behavior, physiology, and anatomy of fishes can provide enhanced maneuverability, stealth, and energy efficiency. Over the last two decades, robotics researchers have developed and reported a large variety of fish-inspired robot designs. The purpose of this review is to report different types of fish-inspired robot designs based upon their intended locomotion patterns. We present a detailed comparison of various design features like sensing, actuation, autonomy, waterproofing, and morphological structure of fish-inspired robots reported in the past decade. We believe that by studying the existing robots, future designers will be able to create new designs by adopting features from the successful robots. The review also summarizes the open research issues that need to be taken up for the further advancement of the field and also for the deployment of fish-inspired robots in practice.

An Emotional Stress as a Trigger for Reverse Takotsubo Cardiomyopathy: A Case Report and Literature Review.

BACKGROUND: Reverse Takotsubo cardiomyopathy is one of the rarest types of stress-induced cardiomyopathy, which despite sharing similar pathogenic mechanisms with its more common counterpart, has different clinical manifestations, demographics, and laboratory values. CASE REPORT: We present the case of a 61-year-old woman who came to the hospital with a chief complaint of chest pain and dyspnea. She was found to have elevated troponin and severely depressed left ventricular function. Echocardiography showed normal contracting apex, with the rest of the left ventricle being hypokinetic. Cardiac catheterization revealed mild coronary artery disease and confirmed echocardiographic findings showing hyperkinetic apex and dilated base. She was discharged home on ACE inhibitor and B-blocker. A repeat echocardiogram 2 weeks after the initial presentation showed complete resolution of cardiac dysfunction. CONCLUSIONS: Reverse Takotsubo cardiomyopathy is a rare disease mimicking acute coronary syndrome. It is essential to rule out organic coronary disease prior to attributing the presentation to Takotsubo cardiomyopathy. With supportive care, the long-term prognosis is good in the vast majority of patients.